CID 15958903

1-[(3r)-4-benzoyl-3-methyl-piperazin-1-yl]-2-[4-methoxy-7-(5-methyl-1,2,4-oxadiazol-3-yl)-1h-pyrrolo[2,3-c]pyridin-3-yl]ethane-1,2-dione

Structural Information

Molecular Formula
C25H24N6O5
SMILES
C[C@@H]1CN(CCN1C(=O)C2=CC=CC=C2)C(=O)C(=O)C3=CNC4=C3C(=CN=C4C5=NOC(=N5)C)OC
InChI
InChI=1S/C25H24N6O5/c1-14-13-30(9-10-31(14)24(33)16-7-5-4-6-8-16)25(34)22(32)17-11-26-20-19(17)18(35-3)12-27-21(20)23-28-15(2)36-29-23/h4-8,11-12,14,26H,9-10,13H2,1-3H3/t14-/m1/s1
InChIKey
WWMHXTAYOSOUOK-CQSZACIVSA-N
Compound name
1-[(3R)-4-benzoyl-3-methylpiperazin-1-yl]-2-[4-methoxy-7-(5-methyl-1,2,4-oxadiazol-3-yl)-1H-pyrrolo[2,3-c]pyridin-3-yl]ethane-1,2-dione
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

488.18082 Da
Monoisotopic Mass

2.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 489.18810 214.4
[M+Na]+ 511.17004 221.0
[M-H]- 487.17354 221.3
[M+NH4]+ 506.21464 215.1
[M+K]+ 527.14398 216.4
[M+H-H2O]+ 471.17808 202.6
[M+HCOO]- 533.17902 223.6
[M+CH3COO]- 547.19467 220.4
[M+Na-2H]- 509.15549 208.6
[M]+ 488.18027 216.4
[M]- 488.18137 216.4
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

No literature data available for this compound.

Patent stripe

No patent data available for this compound.